[2-[(4-fluorophenyl)methyl]-1,3-thiazol-5-yl]-[4-(6-methoxypyrazin-2-yl)piperazin-1-yl]methanone

C20H20FN5O2S — CID 86958909

About [2-[(4-fluorophenyl)methyl]-1,3-thiazol-5-yl]-[4-(6-methoxypyrazin-2-yl)piperazin-1-yl]methanone

[2-[(4-fluorophenyl)methyl]-1,3-thiazol-5-yl]-[4-(6-methoxypyrazin-2-yl)piperazin-1-yl]methanone (PubChem CID 86958909) has the molecular formula C20H20FN5O2S and a molecular weight of 413.48 g/mol. Its IUPAC name is [2-[(4-fluorophenyl)methyl]-1,3-thiazol-5-yl]-[4-(6-methoxypyrazin-2-yl)piperazin-1-yl]methanone.

Molecular Properties

• Compound Name: [2-[(4-fluorophenyl)methyl]-1,3-thiazol-5-yl]-[4-(6-methoxypyrazin-2-yl)piperazin-1-yl]methanone
• PubChem CID: 86958909
• Molecular Formula: C20H20FN5O2S
• Molecular Weight: 413.48 g/mol
• Exact Mass: 413.13
• IUPAC Name: [2-[(4-fluorophenyl)methyl]-1,3-thiazol-5-yl]-[4-(6-methoxypyrazin-2-yl)piperazin-1-yl]methanone
• SMILES: COc1cncc(N2CCN(C(=O)c3cnc(Cc4ccc(F)cc4)s3)CC2)n1
• InChI: InChI=1S/C20H20FN5O2S/c1-28-18-13-22-12-17(24-18)25-6-8-26(9-7-25)20(27)16-11-23-19(29-16)10-14-2-4-15(21)5-3-14/h2-5,11-13H,6-10H2,1H3
• InChIKey: ONPVEKGKDOVRDZ-UHFFFAOYSA-N
• XLogP: 2.63
• TPSA: 71.45 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	413.48
LogP ≤ 5	2.63
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of [2-[(4-fluorophenyl)methyl]-1,3-thiazol-5-yl]-[4-(6-methoxypyrazin-2-yl)piperazin-1-yl]methanone?

The IUPAC name of [2-[(4-fluorophenyl)methyl]-1,3-thiazol-5-yl]-[4-(6-methoxypyrazin-2-yl)piperazin-1-yl]methanone (CID 86958909) is [2-[(4-fluorophenyl)methyl]-1,3-thiazol-5-yl]-[4-(6-methoxypyrazin-2-yl)piperazin-1-yl]methanone.

What is the SMILES notation for [2-[(4-fluorophenyl)methyl]-1,3-thiazol-5-yl]-[4-(6-methoxypyrazin-2-yl)piperazin-1-yl]methanone?

The canonical SMILES for [2-[(4-fluorophenyl)methyl]-1,3-thiazol-5-yl]-[4-(6-methoxypyrazin-2-yl)piperazin-1-yl]methanone is COc1cncc(N2CCN(C(=O)c3cnc(Cc4ccc(F)cc4)s3)CC2)n1.

What is the InChIKey of [2-[(4-fluorophenyl)methyl]-1,3-thiazol-5-yl]-[4-(6-methoxypyrazin-2-yl)piperazin-1-yl]methanone?

The InChIKey is ONPVEKGKDOVRDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20FN5O2S/c1-28-18-13-22-12-17(24-18)25-6-8-26(9-7-25)20(27)16-11-23-19(29-16)10-14-2-4-15(21)5-3-14/h2-5,11-13H,6-10H2,1H3.

What are the key properties of [2-[(4-fluorophenyl)methyl]-1,3-thiazol-5-yl]-[4-(6-methoxypyrazin-2-yl)piperazin-1-yl]methanone?

[2-[(4-fluorophenyl)methyl]-1,3-thiazol-5-yl]-[4-(6-methoxypyrazin-2-yl)piperazin-1-yl]methanone has a molecular weight of 413.48 g/mol, XLogP of 2.63, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for [2-[(4-fluorophenyl)methyl]-1,3-thiazol-5-yl]-[4-(6-methoxypyrazin-2-yl)piperazin-1-yl]methanone is sourced from PubChem (CID 86958909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).